XAFS Journal Club
John Rehr: Fast throughput calculations and the XAFS data base in the Materials Project
Modern electronic structure theory and computational methods now permit efficient calculations of ground state properties, as exemplified by the tabulation of many-thousands of structures in the Materials Project . Complementary […]
Pieter Glatzel: Reflections on hard X-ray photon-in/photon-out spectroscopy
The presentation will be a collection of thoughts that I find interesting for the experimentalist employing hard X-ray photon-in/photon-out spectroscopy with a wavelength dispersive instrument. I would like to draw […]
Jennifer Mass: MicroXANES studies of pigment degradation in works by Henri Matisse and a Dutch golden age still life
The new painting materials used by the Impressionists, Fauvists, and Expressionists were critical components of their break with traditional modes of representation. These artists heavily exploited the synthetic organic and […]
Jason Shearer: Structural Determination of Small Molecular Systems Using a Wavelet Analysis
Presented will be a discussion of efforts to employ a wavelet transform (WT) analysis towards the quantitative structural determination of discrete molecular systems using an EXAFS analysis. Unlike a transition […]
Joshua Kas: Corvus: A Workflow Tool for X-ray and Related Spectroscopies
Great strides have been made over the past decade in the theory and calculation of X-ray and related spectra. Some advances involve predictions of material properties such as structure or […]
Megan Holycross: Probing the deep Earth oxygen cycle with XANES
The oxidation state of the solid Earth influences, to a first order, the structure of the planet and the chemistry of rocks, ores and volcanic gases; mass transfer of oxygen […]
Anne Marie March: Capturing photochemical reaction intermediates with time-resolved synchrotron x-ray spectroscopy
The pump-probe technique allows for measurement of timescales that are shorter than a detector’s response time. Using a MHz-repetition-rate laser to pump a sample, the full x-ray flux of synchrotrons […]
Maryjo Brounce: The oxidation state of sulfur in Apollo-era lunar rocks and curation best practices for future sample return missions
Lunar apatites contain hundreds to thousands of parts per million of sulfur. This is puzzling because lunar basalts are thought to form in low oxygen fugacity (fO2) conditions where sulfur […]
Jerry Seidler: Overview of lab XAFS/XES
After decades of relative silence, lab-based spectroscopy has made a comeback in recent years. Modern spectrometers have energy resolution comparable to synchrotron XAS beamlines and have performances demonstrated in dozens […]
Alessandra Leri: XANES Spectroscopy to Illuminate Biogeochemical Cycling of Halogens in Environmental Systems
The halogens chlorine and bromine have high electron affinities and exist in seawater mainly as chloride and bromide anions, which have generally been considered unreactive in the environment. Using Cl […]
Anna Zymakova: Introduction to ELI-Beamlines
Introduction to ELI-Beamlines – a new user facility in the heart of Europe. Status and prospective of ELI X-ray spectroscopy end-station <span data-sheets-value="{"1":2,"2":"Improved access to state-of-the-art facilities is a key […]
Anatoly Frenkel: Machine learning – assisted analysis of material’s structure using XANES and EXAFS spectra
Tracking the structure of functional nanomaterials (e.g., metal catalysts) remains a challenge due to the paucity of experimental techniques that can provide atomic-level information for metal species in harsh conditions, […]